N'-[[(Z)-but-2-en-2-yl]-ethenylamino]-N-methylidenemethanimidamide

C8H13N3 — CID 155686469

IUPACN'-[[(Z)-but-2-en-2-yl]-ethenylamino]-N-methylidenemethanimidamide
SMILESC=CN(/N=C\N=C)/C(C)=C\C
InChIInChI=1S/C8H13N3/c1-5-8(3)11(6-2)10-7-9-4/h5-7H,2,4H2,1,3H3/b8-5-,10-7-
InChIKeyKUVCSYWMCXPYJF-OUOSTHCTSA-N
MW151.21 g/mol
LogP2.00
Rot. Bonds4

About N'-[[(Z)-but-2-en-2-yl]-ethenylamino]-N-methylidenemethanimidamide

N'-[[(Z)-but-2-en-2-yl]-ethenylamino]-N-methylidenemethanimidamide (PubChem CID 155686469) has the molecular formula C8H13N3 and a molecular weight of 151.21 g/mol. Its IUPAC name is N'-[[(Z)-but-2-en-2-yl]-ethenylamino]-N-methylidenemethanimidamide.

Molecular Properties

Compound NameN'-[[(Z)-but-2-en-2-yl]-ethenylamino]-N-methylidenemethanimidamide
PubChem CID155686469
Molecular FormulaC8H13N3
Molecular Weight151.21 g/mol
Exact Mass151.11
IUPAC NameN'-[[(Z)-but-2-en-2-yl]-ethenylamino]-N-methylidenemethanimidamide
SMILESC=CN(/N=C\N=C)/C(C)=C\C
InChIInChI=1S/C8H13N3/c1-5-8(3)11(6-2)10-7-9-4/h5-7H,2,4H2,1,3H3/b8-5-,10-7-
InChIKeyKUVCSYWMCXPYJF-OUOSTHCTSA-N
XLogP2.00
TPSA27.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-[[(Z)-but-2-en-2-yl]-ethenylamino]-N-methylidenemethanimidamide?
The IUPAC name of N'-[[(Z)-but-2-en-2-yl]-ethenylamino]-N-methylidenemethanimidamide (CID 155686469) is N'-[[(Z)-but-2-en-2-yl]-ethenylamino]-N-methylidenemethanimidamide.
What is the SMILES notation for N'-[[(Z)-but-2-en-2-yl]-ethenylamino]-N-methylidenemethanimidamide?
The canonical SMILES for N'-[[(Z)-but-2-en-2-yl]-ethenylamino]-N-methylidenemethanimidamide is C=CN(/N=C\N=C)/C(C)=C\C.
What is the InChIKey of N'-[[(Z)-but-2-en-2-yl]-ethenylamino]-N-methylidenemethanimidamide?
The InChIKey is KUVCSYWMCXPYJF-OUOSTHCTSA-N. The full InChI is InChI=1S/C8H13N3/c1-5-8(3)11(6-2)10-7-9-4/h5-7H,2,4H2,1,3H3/b8-5-,10-7-.
What are the key properties of N'-[[(Z)-but-2-en-2-yl]-ethenylamino]-N-methylidenemethanimidamide?
N'-[[(Z)-but-2-en-2-yl]-ethenylamino]-N-methylidenemethanimidamide has a molecular weight of 151.21 g/mol, XLogP of 2.00, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[[(Z)-but-2-en-2-yl]-ethenylamino]-N-methylidenemethanimidamide is sourced from PubChem (CID 155686469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).